Publication: Towards gold shells shaped by carbon cores: From a gold cage to a core-shell aurocarbon

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Title	Towards gold shells shaped by carbon cores: From a gold cage to a core-shell aurocarbon
Authors/Editors*	Fedor Y. Naumkin
Where published*	Chem. Phys. Lett.
How published*	Journal
Year*	2008
Volume	466
Number
Pages	44-49
Publisher
Keywords
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Abstract	A new aurocarbon species, C10Au18, is investigated in terms of its geometry, stability, charge distribution and properties involving changes of the electronic and charge state. The system consists of a carbon-radical core inside a gold shell. The property variations upon adding the carbon molecular âdopantâ to the gold cage cluster of equivalent geometry are analyzed via isolating the effects of the shell shape-change and core influence. The charge distribution in the system exhibits interesting, sometimes counterintuitive features. An approximate splitting of the total binding energy into the in-shell and core-shell components is attempted, indicating comparable values for both.